#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sa8 s PHE 2 N 0.00 0.39 0.06 0.00 0.40 -1.26 -5.07 117.98 112.49 1sa8 s PHE 2 Ca 0.00 -0.80 0.00 0.00 -0.60 0.00 0.00 56.93 55.53 1sa8 s PHE 2 Cb 0.00 -0.15 0.00 0.00 0.51 0.00 0.00 43.02 43.38 1sa8 s PHE 2 CO 0.00 -0.59 0.00 -3.47 0.70 0.00 0.00 175.22 171.86 1sa8 n ASP 3 N -0.11 -0.52 0.00 1.36 2.03 0.33 -4.65 116.55 114.99 1sa8 n ASP 3 Ca -0.11 0.27 0.00 0.00 0.52 0.00 0.00 54.79 55.48 1sa8 n ASP 3 Cb 0.63 0.71 0.00 0.00 -0.72 0.00 0.00 41.12 41.74 1sa8 n ASP 3 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1sa8 n GLY 4 N -1.34 -1.51 3.15 0.27 0.00 -1.23 -1.52 105.19 103.02 1sa8 n GLY 4 Ca 0.00 0.96 0.06 0.00 0.00 0.00 0.00 46.02 47.04 1sa8 n GLY 4 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1sa8 s THR 5 N 0.00 -0.20 -0.30 2.61 -4.23 -1.02 -4.45 115.64 108.06 1sa8 s THR 5 Ca 0.00 0.00 -0.03 0.00 -1.18 0.00 0.00 61.69 60.48 1sa8 s THR 5 Cb 0.00 -0.38 0.11 0.00 1.34 0.00 0.00 72.50 73.57 1sa8 s THR 5 CO 0.00 0.00 0.15 0.26 -0.54 0.00 0.00 174.62 174.49 1sa8 s TRP 6 N 2.97 0.35 0.06 3.99 0.52 0.46 -0.44 118.94 126.85 1sa8 s TRP 6 Ca 0.21 -0.97 -0.28 0.00 0.02 0.00 0.00 56.10 55.09 1sa8 s TRP 6 Cb -0.03 -0.89 0.09 0.00 -1.15 0.00 0.00 33.47 31.49 1sa8 s TRP 6 CO -0.20 -0.83 1.01 0.21 0.02 0.00 0.00 176.95 177.16 1sa8 s LYS 7 N 1.95 0.91 -0.12 4.98 2.47 0.33 -4.22 119.74 126.04 1sa8 s LYS 7 Ca 0.10 -0.46 -0.05 0.00 -1.56 0.00 0.00 55.97 54.01 1sa8 s LYS 7 Cb -0.17 0.34 -0.04 0.00 -1.46 0.00 0.00 37.83 36.50 1sa8 s LYS 7 CO -0.31 -0.41 0.06 0.08 0.16 0.00 0.00 175.35 174.93 1sa8 s VAL 8 N -3.04 4.83 0.00 4.02 1.01 -1.26 -4.45 120.40 121.50 1sa8 s VAL 8 Ca 0.10 -0.04 0.00 0.00 0.00 0.00 0.00 61.98 62.04 1sa8 s VAL 8 Cb -0.00 -3.09 0.00 0.00 0.00 0.00 0.00 36.38 33.29 1sa8 s VAL 8 CO -0.02 0.58 0.00 0.61 0.00 0.00 0.00 175.10 176.27 1sa8 n GLY 9 N 2.39 2.94 1.31 4.51 0.00 -1.26 -2.21 105.19 112.88 1sa8 n GLY 9 Ca -0.19 -0.19 -0.02 0.00 0.00 0.00 0.00 46.02 45.62 1sa8 n GLY 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sa8 n GLY 10 N 0.00 2.46 3.32 -0.02 0.00 -1.26 -4.76 105.19 104.93 1sa8 n GLY 10 Ca 0.00 -0.13 -0.30 0.00 0.00 0.00 0.00 46.02 45.59 1sa8 n GLY 10 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sa8 s LEU 11 N -0.28 2.13 0.01 0.99 1.43 -0.94 -4.97 118.68 117.05 1sa8 s LEU 11 Ca 0.05 -0.54 0.08 0.00 -1.03 0.00 0.00 54.13 52.68 1sa8 s LEU 11 Cb 0.04 -1.25 -0.02 0.00 0.03 0.00 0.00 46.19 44.99 1sa8 s LEU 11 CO 0.00 0.26 -0.24 -1.59 0.23 0.00 0.00 176.35 175.01 1sa8 s LYS 12 N -1.05 1.85 -0.03 1.70 -2.85 -1.26 -4.17 119.74 113.93 1sa8 s LYS 12 Ca 0.11 -0.94 -0.01 0.00 -1.00 0.00 0.00 55.97 54.13 1sa8 s LYS 12 Cb -0.10 -1.87 0.03 0.00 -2.06 0.00 0.00 37.83 33.83 1sa8 s LYS 12 CO 0.01 0.50 0.06 -1.17 0.10 0.00 0.00 175.35 174.85 1sa8 s LEU 13 N -0.81 1.18 -0.07 2.77 0.20 -1.24 -3.06 118.68 117.64 1sa8 s LEU 13 Ca 0.10 0.12 0.02 0.00 0.69 0.00 0.00 54.13 55.05 1sa8 s LEU 13 Cb -0.09 0.09 0.01 0.00 -0.43 0.00 0.00 46.19 45.77 1sa8 s LEU 13 CO 0.00 -0.11 -0.13 -0.89 -0.29 0.00 0.00 176.35 174.94 1sa8 s THR 14 N 0.83 1.18 -0.36 3.68 2.01 -1.11 -0.40 115.64 121.48 1sa8 s THR 14 Ca -0.07 -0.50 0.03 0.00 0.31 0.00 0.00 61.69 61.46 1sa8 s THR 14 Cb -0.09 -1.08 0.11 0.00 0.01 0.00 0.00 72.50 71.44 1sa8 s THR 14 CO -0.03 0.37 0.10 -0.63 -0.69 0.00 0.00 174.62 173.74 1sa8 s ILE 15 N 0.73 1.86 -0.10 1.82 1.01 -1.15 0.19 121.20 125.56 1sa8 s ILE 15 Ca -0.13 -2.20 -0.04 0.00 0.00 0.00 0.00 60.65 58.28 1sa8 s ILE 15 Cb -0.16 -2.37 -0.04 0.00 0.01 0.00 0.00 42.46 39.91 1sa8 s ILE 15 CO 0.03 -0.66 0.05 -0.89 0.00 0.00 0.00 174.94 173.47 1sa8 s THR 16 N 0.94 4.76 -0.08 2.92 2.01 -0.57 -0.51 115.64 125.11 1sa8 s THR 16 Ca 0.12 -0.07 -0.13 0.00 0.31 0.00 0.00 61.69 61.91 1sa8 s THR 16 Cb -0.20 -3.04 0.03 0.00 0.01 0.00 0.00 72.50 69.30 1sa8 s THR 16 CO -0.11 0.60 0.33 0.00 -0.69 0.00 0.00 174.62 174.75 1sa8 s GLN 17 N -0.85 0.53 0.00 4.92 1.03 -1.24 -2.13 119.66 121.91 1sa8 s GLN 17 Ca 0.13 0.18 0.00 0.00 0.04 0.00 0.00 55.36 55.71 1sa8 s GLN 17 Cb -0.12 0.24 0.00 0.00 0.03 0.00 0.00 33.01 33.17 1sa8 s GLN 17 CO 0.03 -0.11 0.00 -0.85 -2.54 0.00 0.00 175.29 171.82 1sa8 n GLU 18 N 2.15 0.00 0.12 9.60 0.28 -1.23 -4.94 120.64 126.63 1sa8 n GLU 18 Ca -0.17 0.00 -0.13 0.00 -0.16 0.00 0.00 57.16 56.71 1sa8 n GLU 18 Cb 0.57 0.00 -0.08 0.00 1.43 0.00 0.00 31.44 33.36 1sa8 n GLU 18 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 177.13 177.75 1sa8 h GLY 19 N 0.00 -0.36 -6.05 -1.84 0.00 -2.05 -3.43 103.07 89.34 1sa8 h GLY 19 Ca 0.00 0.14 -0.03 0.00 0.00 0.00 0.00 47.33 47.43 1sa8 h GLY 19 CO 0.00 -0.13 -0.43 0.54 0.00 0.00 0.00 176.54 176.52 1sa8 s ASN 20 N -5.19 -1.29 -0.30 0.19 4.22 -1.26 -5.10 114.94 106.20 1sa8 s ASN 20 Ca -0.14 -0.18 -0.13 0.00 -2.14 0.00 0.00 52.86 50.27 1sa8 s ASN 20 Cb 0.02 1.87 0.17 0.00 1.28 0.00 0.00 41.25 44.59 1sa8 s ASN 20 CO 0.53 -0.27 0.99 -0.75 -2.04 0.00 0.00 177.10 175.56 1sa8 s LYS 21 N 2.50 0.27 0.08 3.55 2.20 -1.26 -4.45 119.74 122.62 1sa8 s LYS 21 Ca 0.12 0.59 0.07 0.00 -0.36 0.00 0.00 55.97 56.38 1sa8 s LYS 21 Cb -0.09 0.34 -0.04 0.00 -1.51 0.00 0.00 37.83 36.54 1sa8 s LYS 21 CO -0.21 -0.17 -0.11 -0.06 -0.36 0.00 0.00 175.35 174.43 1sa8 s PHE 22 N 2.63 2.72 -0.02 4.03 0.40 0.34 -3.47 117.98 124.61 1sa8 s PHE 22 Ca 0.00 -0.16 -0.01 0.00 -0.60 0.00 0.00 56.93 56.16 1sa8 s PHE 22 Cb -0.08 -1.46 0.02 0.00 0.51 0.00 0.00 43.02 42.00 1sa8 s PHE 22 CO -0.16 0.38 0.05 -0.08 0.70 0.00 0.00 175.22 176.12 1sa8 s THR 23 N -1.12 -0.02 -0.14 0.64 -1.32 -0.91 0.24 115.64 113.01 1sa8 s THR 23 Ca 0.19 0.08 -0.01 0.00 -1.21 0.00 0.00 61.69 60.75 1sa8 s THR 23 Cb -0.11 -0.09 -0.02 0.00 -1.51 0.00 0.00 72.50 70.77 1sa8 s THR 23 CO 0.11 0.03 -0.12 -0.69 -2.21 0.00 0.00 174.62 171.74 1sa8 s VAL 24 N 0.45 3.15 -0.40 5.08 1.01 0.13 -2.00 120.40 127.82 1sa8 s VAL 24 Ca -0.04 -0.62 -0.14 0.00 0.00 0.00 0.00 61.98 61.18 1sa8 s VAL 24 Cb -0.05 -2.33 0.02 0.00 0.00 0.00 0.00 36.38 34.02 1sa8 s VAL 24 CO -0.02 0.52 0.28 -0.75 0.00 0.00 0.00 175.10 175.13 1sa8 s LYS 25 N 0.41 2.94 -0.14 2.72 2.20 0.13 0.13 119.74 128.14 1sa8 s LYS 25 Ca -0.09 -1.03 -0.04 0.00 -0.36 0.00 0.00 55.97 54.45 1sa8 s LYS 25 Cb -0.16 -3.91 -0.03 0.00 -1.51 0.00 0.00 37.83 32.22 1sa8 s LYS 25 CO 0.05 -0.73 -0.02 -1.21 -0.36 0.00 0.00 175.35 173.08 1sa8 s GLU 26 N 1.65 3.53 -0.12 4.03 0.41 0.79 -2.74 118.70 126.26 1sa8 s GLU 26 Ca 0.04 -0.47 -0.04 0.00 -0.41 0.00 0.00 54.97 54.09 1sa8 s GLU 26 Cb -0.19 -2.92 0.06 0.00 -1.78 0.00 0.00 34.13 29.30 1sa8 s GLU 26 CO 0.09 0.36 0.19 -1.12 -0.49 0.00 0.00 175.26 174.29 1sa8 s SER 27 N 0.05 0.81 -0.20 -0.19 0.01 -1.17 -0.97 113.70 112.03 1sa8 s SER 27 Ca 0.01 0.27 -0.27 0.00 1.31 0.00 0.00 55.95 57.28 1sa8 s SER 27 Cb -0.13 0.37 0.07 0.00 0.21 0.00 0.00 66.02 66.54 1sa8 s SER 27 CO 0.02 -0.26 0.73 -0.44 0.41 0.00 0.00 173.24 173.70 1sa8 s SER 28 N 2.32 -0.70 0.00 2.44 0.01 -1.06 -4.07 113.70 112.65 1sa8 s SER 28 Ca 0.03 1.19 0.00 0.00 1.31 0.00 0.00 55.95 58.49 1sa8 s SER 28 Cb -0.13 1.15 0.00 0.00 0.21 0.00 0.00 66.02 67.25 1sa8 s SER 28 CO -0.07 -0.35 0.00 0.59 0.41 0.00 0.00 173.24 173.81 1sa8 n ASN 29 N 2.12 0.00 -2.70 2.44 5.03 -1.26 -2.85 115.26 118.04 1sa8 n ASN 29 Ca -0.15 0.00 -0.06 0.00 0.87 0.00 0.00 54.58 55.24 1sa8 n ASN 29 Cb 0.56 0.00 0.09 0.00 -1.02 0.00 0.00 39.78 39.41 1sa8 n ASN 29 CO 0.00 0.00 0.00 0.33 -1.83 0.00 0.00 177.26 175.76 1sa8 n PHE 30 N 0.00 -1.72 -3.61 3.10 7.35 -1.26 -5.14 117.46 116.18 1sa8 n PHE 30 Ca 0.00 -1.47 -0.13 0.00 -0.76 0.00 0.00 57.45 55.08 1sa8 n PHE 30 Cb 0.00 1.43 -0.07 0.00 0.35 0.00 0.00 39.48 41.19 1sa8 n PHE 30 CO 0.00 0.00 0.00 -0.98 -0.76 0.00 0.00 176.76 175.02 1sa8 s ARG 31 N 0.16 0.78 -0.08 -4.13 1.70 -1.13 -5.15 118.95 111.10 1sa8 s ARG 31 Ca 0.20 0.75 0.02 0.00 -0.47 0.00 0.00 55.73 56.23 1sa8 s ARG 31 Cb 0.28 0.38 0.01 0.00 -0.57 0.00 0.00 34.95 35.05 1sa8 s ARG 31 CO -0.11 -0.13 -0.14 1.21 -1.08 0.00 0.00 175.30 175.05 1sa8 s ASN 32 N 0.02 2.06 -0.20 -2.89 3.84 -1.26 -2.55 114.94 113.97 1sa8 s ASN 32 Ca -0.01 -0.35 -0.18 0.00 0.21 0.00 0.00 52.86 52.53 1sa8 s ASN 32 Cb -0.04 -0.94 0.05 0.00 -0.55 0.00 0.00 41.25 39.77 1sa8 s ASN 32 CO 0.01 0.04 0.53 -0.51 -2.79 0.00 0.00 177.10 174.38 1sa8 s ILE 33 N 0.69 -0.00 -0.12 -5.21 2.07 -0.14 -5.00 121.20 113.49 1sa8 s ILE 33 Ca -0.14 0.00 -0.01 0.00 -1.41 0.00 0.00 60.65 59.10 1sa8 s ILE 33 Cb -0.16 -0.74 -0.03 0.00 0.13 0.00 0.00 42.46 41.67 1sa8 s ILE 33 CO 0.03 0.00 -0.07 -1.81 -1.91 0.00 0.00 174.94 171.19 1sa8 s ASP 34 N 0.37 4.59 -0.33 4.50 1.01 -1.25 -0.15 116.67 125.41 1sa8 s ASP 34 Ca -0.01 -0.13 -0.05 0.00 0.71 0.00 0.00 52.55 53.07 1sa8 s ASP 34 Cb -0.04 -1.52 0.04 0.00 1.01 0.00 0.00 42.92 42.41 1sa8 s ASP 34 CO -0.01 0.24 0.08 -0.69 0.21 0.00 0.00 175.17 175.01 1sa8 s VAL 35 N -0.07 3.63 -0.11 -1.27 1.01 0.12 -4.86 120.40 118.84 1sa8 s VAL 35 Ca 0.01 -1.15 -0.05 0.00 0.00 0.00 0.00 61.98 60.79 1sa8 s VAL 35 Cb -0.13 -3.05 -0.04 0.00 0.00 0.00 0.00 36.38 33.16 1sa8 s VAL 35 CO 0.03 -0.14 0.07 0.54 0.00 0.00 0.00 175.10 175.59 1sa8 s VAL 36 N 1.38 4.87 -0.15 2.92 0.11 -1.26 0.18 120.40 128.45 1sa8 s VAL 36 Ca -0.02 -0.03 -0.27 0.00 -2.93 0.00 0.00 61.98 58.73 1sa8 s VAL 36 Cb -0.19 -3.10 0.07 0.00 -1.53 0.00 0.00 36.38 31.62 1sa8 s VAL 36 CO 0.02 0.59 0.68 0.72 -3.33 0.00 0.00 175.10 173.78 1sa8 s PHE 37 N -0.75 -0.70 0.05 1.54 -0.12 0.14 -4.98 117.98 113.16 1sa8 s PHE 37 Ca 0.12 1.47 0.01 0.00 -0.05 0.00 0.00 56.93 58.49 1sa8 s PHE 37 Cb -0.12 0.33 -0.04 0.00 -0.63 0.00 0.00 43.02 42.56 1sa8 s PHE 37 CO 0.03 -0.48 0.11 -1.21 -0.05 0.00 0.00 175.22 173.61 1sa8 s GLU 38 N -0.42 3.06 0.08 1.99 2.02 -1.26 -0.50 118.70 123.66 1sa8 s GLU 38 Ca -0.06 -0.57 -0.31 0.00 0.02 0.00 0.00 54.97 54.06 1sa8 s GLU 38 Cb -0.03 -2.84 -0.09 0.00 0.10 0.00 0.00 34.13 31.28 1sa8 s GLU 38 CO 0.05 0.60 1.75 -0.51 0.02 0.00 0.00 175.26 177.18 1sa8 s LEU 39 N -2.19 4.38 -0.56 1.80 1.02 -1.26 -2.33 118.68 119.54 1sa8 s LEU 39 Ca 0.28 2.60 -0.03 0.00 0.02 0.00 0.00 54.13 57.00 1sa8 s LEU 39 Cb -0.12 -3.56 0.00 0.00 0.02 0.00 0.00 46.19 42.53 1sa8 s LEU 39 CO 0.20 -0.95 0.35 0.61 0.02 0.00 0.00 176.35 176.59 1sa8 n GLY 40 N 4.14 0.31 3.14 -3.19 0.00 0.13 -5.01 105.19 104.71 1sa8 n GLY 40 Ca 0.17 -0.37 -0.26 0.00 0.00 0.00 0.00 46.02 45.55 1sa8 n GLY 40 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sa8 s VAL 41 N -2.96 1.47 -0.11 1.61 1.01 -0.99 -4.94 120.40 115.50 1sa8 s VAL 41 Ca 0.17 -0.74 -0.04 0.00 0.00 0.00 0.00 61.98 61.37 1sa8 s VAL 41 Cb -0.08 -1.26 -0.04 0.00 0.00 0.00 0.00 36.38 35.00 1sa8 s VAL 41 CO 0.22 0.42 0.06 1.51 0.00 0.00 0.00 175.10 177.31 1sa8 s ASP 42 N 0.03 5.71 0.01 3.32 1.47 -1.26 -2.56 116.67 123.40 1sa8 s ASP 42 Ca -0.04 0.27 -0.28 0.00 1.18 0.00 0.00 52.55 53.68 1sa8 s ASP 42 Cb -0.12 -1.74 0.08 0.00 -0.34 0.00 0.00 42.92 40.81 1sa8 s ASP 42 CO 0.02 0.38 0.74 0.72 0.68 0.00 0.00 175.17 177.71 1sa8 s PHE 43 N -0.85 -0.52 -0.12 2.11 -0.12 0.07 -4.91 117.98 113.64 1sa8 s PHE 43 Ca 0.13 0.62 -0.05 0.00 -0.05 0.00 0.00 56.93 57.59 1sa8 s PHE 43 Cb -0.12 0.49 -0.04 0.00 -0.63 0.00 0.00 43.02 42.73 1sa8 s PHE 43 CO 0.03 -0.64 0.05 0.00 -0.05 0.00 0.00 175.22 174.61 1sa8 s ALA 44 N -2.38 3.46 -0.16 1.99 0.00 -1.26 -0.30 121.76 123.10 1sa8 s ALA 44 Ca -0.03 -0.75 -0.20 0.00 0.00 0.00 0.00 51.96 50.99 1sa8 s ALA 44 Cb -0.01 -1.72 0.05 0.00 0.00 0.00 0.00 23.12 21.45 1sa8 s ALA 44 CO -0.02 0.48 0.53 -0.47 0.00 0.00 0.00 175.76 176.28 1sa8 s TYR 45 N -0.57 -0.56 -0.20 0.00 5.04 -0.47 -4.96 117.35 115.63 1sa8 s TYR 45 Ca 0.11 1.28 -0.08 0.00 -2.44 0.00 0.00 57.07 55.93 1sa8 s TYR 45 Cb -0.12 0.22 -0.04 0.00 0.35 0.00 0.00 41.96 42.37 1sa8 s TYR 45 CO 0.02 -0.34 0.09 0.45 -1.34 0.00 0.00 175.55 174.43 1sa8 s SER 46 N -0.07 5.76 -0.17 4.32 0.15 -1.26 -1.02 113.70 121.41 1sa8 s SER 46 Ca -0.03 0.08 -0.02 0.00 0.70 0.00 0.00 55.95 56.68 1sa8 s SER 46 Cb -0.03 -2.00 -0.01 0.00 -1.71 0.00 0.00 66.02 62.26 1sa8 s SER 46 CO 0.02 0.14 -0.08 -0.76 1.20 0.00 0.00 173.24 173.76 1sa8 s LEU 47 N 0.59 2.86 -1.35 3.45 1.43 0.86 -4.57 118.68 121.94 1sa8 s LEU 47 Ca 0.05 -0.33 -0.01 0.00 -1.03 0.00 0.00 54.13 52.81 1sa8 s LEU 47 Cb -0.13 -1.69 0.01 0.00 0.03 0.00 0.00 46.19 44.42 1sa8 s LEU 47 CO 0.01 0.09 0.12 0.00 0.23 0.00 0.00 176.35 176.79 1sa8 n ALA 48 N 4.05 -0.78 -3.91 4.21 0.00 -1.26 -1.94 120.51 120.87 1sa8 n ALA 48 Ca -0.18 0.14 -0.25 0.00 0.00 0.00 0.00 53.44 53.15 1sa8 n ALA 48 Cb 0.52 -2.10 -0.01 0.00 0.00 0.00 0.00 19.45 17.85 1sa8 n ALA 48 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1sa8 n ASP 49 N -2.00 -0.48 0.08 0.00 2.03 -1.26 -4.76 116.55 110.16 1sa8 n ASP 49 Ca -0.16 -0.98 0.00 0.00 0.52 0.00 0.00 54.79 54.17 1sa8 n ASP 49 Cb 0.63 -3.22 0.00 0.00 -0.72 0.00 0.00 41.12 37.81 1sa8 n ASP 49 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1sa8 n GLY 50 N -1.91 -0.84 3.65 0.27 0.00 -0.82 -5.09 105.19 100.45 1sa8 n GLY 50 Ca -0.31 0.13 -0.39 0.00 0.00 0.00 0.00 46.02 45.45 1sa8 n GLY 50 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1sa8 s THR 51 N -2.00 5.11 -0.55 2.61 -4.23 -0.97 -4.92 115.64 110.68 1sa8 s THR 51 Ca 0.00 0.89 -0.04 0.00 -1.18 0.00 0.00 61.69 61.35 1sa8 s THR 51 Cb 0.00 -3.82 0.14 0.00 1.34 0.00 0.00 72.50 70.16 1sa8 s THR 51 CO 0.00 0.16 0.37 -1.61 -0.54 0.00 0.00 174.62 173.00 1sa8 s GLU 52 N 1.82 2.43 -0.22 3.99 2.02 -1.26 -0.10 118.70 127.38 1sa8 s GLU 52 Ca 0.22 -2.20 -0.08 0.00 0.02 0.00 0.00 54.97 52.93 1sa8 s GLU 52 Cb -0.15 -3.75 -0.04 0.00 0.10 0.00 0.00 34.13 30.29 1sa8 s GLU 52 CO 0.09 -1.15 0.08 -0.51 0.02 0.00 0.00 175.26 173.79 1sa8 s LEU 53 N 0.52 3.66 -0.32 1.80 1.02 -0.19 -2.66 118.68 122.51 1sa8 s LEU 53 Ca 0.13 -0.06 -0.10 0.00 0.02 0.00 0.00 54.13 54.12 1sa8 s LEU 53 Cb -0.21 -1.96 0.00 0.00 0.02 0.00 0.00 46.19 44.04 1sa8 s LEU 53 CO -0.04 0.05 0.16 -0.89 0.02 0.00 0.00 176.35 175.65 1sa8 s THR 54 N 1.10 4.52 0.10 5.49 2.01 -0.43 -1.36 115.64 127.07 1sa8 s THR 54 Ca 0.05 -0.56 -0.26 0.00 0.31 0.00 0.00 61.69 61.23 1sa8 s THR 54 Cb -0.14 -3.36 0.08 0.00 0.01 0.00 0.00 72.50 69.09 1sa8 s THR 54 CO 0.03 -0.00 0.91 -0.83 -0.69 0.00 0.00 174.62 174.04 1sa8 s GLY 55 N 1.59 -0.34 0.06 4.40 0.00 0.58 -0.28 107.32 113.34 1sa8 s GLY 55 Ca 0.04 0.47 0.03 0.00 0.00 0.00 0.00 44.72 45.26 1sa8 s GLY 55 CO 0.06 0.14 0.05 -1.08 0.00 0.00 0.00 173.10 172.26 1sa8 s THR 56 N -3.26 4.38 -0.01 0.90 -1.32 -0.79 -0.75 115.64 114.79 1sa8 s THR 56 Ca 0.09 -0.75 0.06 0.00 -1.21 0.00 0.00 61.69 59.88 1sa8 s THR 56 Cb -0.01 -3.07 -0.02 0.00 -1.51 0.00 0.00 72.50 67.89 1sa8 s THR 56 CO -0.03 0.19 -0.19 0.86 -2.21 0.00 0.00 174.62 173.24 1sa8 s TRP 57 N -1.30 1.69 0.01 9.09 -0.11 -1.06 -0.99 118.94 126.27 1sa8 s TRP 57 Ca 0.26 -0.33 0.03 0.00 1.22 0.00 0.00 56.10 57.28 1sa8 s TRP 57 Cb -0.12 -1.08 -0.01 0.00 -1.50 0.00 0.00 33.47 30.76 1sa8 s TRP 57 CO 0.18 -0.01 -0.09 0.95 -4.62 0.00 0.00 176.95 173.36 1sa8 s THR 58 N -0.50 0.72 -0.27 5.86 -4.23 0.25 0.17 115.64 117.63 1sa8 s THR 58 Ca 0.07 -0.59 0.01 0.00 -1.18 0.00 0.00 61.69 60.00 1sa8 s THR 58 Cb -0.07 -0.64 0.08 0.00 1.34 0.00 0.00 72.50 73.20 1sa8 s THR 58 CO -0.00 0.06 -0.01 -0.32 -0.54 0.00 0.00 174.62 173.81 1sa8 s MET 59 N -0.60 1.46 -0.40 3.99 1.75 -1.26 -1.24 119.30 123.00 1sa8 s MET 59 Ca 0.01 -1.22 -0.12 0.00 -1.25 0.00 0.00 55.69 53.11 1sa8 s MET 59 Cb -0.05 -2.64 0.04 0.00 2.84 0.00 0.00 34.83 35.02 1sa8 s MET 59 CO 0.00 -0.74 0.25 -2.00 -0.65 0.00 0.00 175.02 171.88 1sa8 s GLU 60 N 1.31 2.81 4.98 4.11 2.12 -0.41 -4.89 118.70 128.74 1sa8 s GLU 60 Ca 0.00 -1.18 0.00 0.00 0.36 0.00 0.00 54.97 54.16 1sa8 s GLU 60 Cb -0.19 -3.82 0.00 0.00 0.26 0.00 0.00 34.13 30.39 1sa8 s GLU 60 CO -0.10 -0.79 0.00 0.41 -0.54 0.00 0.00 175.26 174.24 1sa8 n GLY 61 N 5.03 1.15 2.23 -1.50 0.00 -1.26 -1.13 105.19 109.71 1sa8 n GLY 61 Ca -0.11 0.30 -0.19 0.00 0.00 0.00 0.00 46.02 46.02 1sa8 n GLY 61 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1sa8 n ASN 62 N 9.49 4.14 -4.09 1.61 0.23 -1.26 -5.00 115.26 120.37 1sa8 n ASN 62 Ca 0.00 -3.36 -0.28 0.00 -0.53 0.00 0.00 54.58 50.41 1sa8 n ASN 62 Cb 0.00 -0.38 -0.17 0.00 -2.08 0.00 0.00 39.78 37.15 1sa8 n ASN 62 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 1sa8 s LYS 63 N -3.63 2.29 -0.22 -3.83 3.01 -0.28 -0.19 119.74 116.88 1sa8 s LYS 63 Ca 0.45 -0.61 -0.06 0.00 -1.01 0.00 0.00 55.97 54.75 1sa8 s LYS 63 Cb 0.39 -1.84 -0.02 0.00 -1.01 0.00 0.00 37.83 35.35 1sa8 s LYS 63 CO 0.01 0.04 0.01 -0.51 0.51 0.00 0.00 175.35 175.41 1sa8 s LEU 64 N 0.68 3.24 0.00 3.17 1.43 0.33 -1.28 118.68 126.24 1sa8 s LEU 64 Ca -0.13 -0.25 -0.29 0.00 -1.03 0.00 0.00 54.13 52.43 1sa8 s LEU 64 Cb -0.16 -1.84 0.07 0.00 0.03 0.00 0.00 46.19 44.29 1sa8 s LEU 64 CO 0.03 0.01 0.67 0.54 0.23 0.00 0.00 176.35 177.84 1sa8 s VAL 65 N 1.31 0.00 0.00 -1.59 0.11 -0.37 0.43 120.40 120.29 1sa8 s VAL 65 Ca 0.04 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.09 1sa8 s VAL 65 Cb -0.15 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.70 1sa8 s VAL 65 CO 0.01 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.39 1sa8 n GLY 66 N 0.56 1.74 3.15 6.54 0.00 -1.24 0.86 105.19 116.80 1sa8 n GLY 66 Ca -0.18 -0.32 0.04 0.00 0.00 0.00 0.00 46.02 45.57 1sa8 n GLY 66 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1sa8 s LYS 67 N 2.02 0.52 0.13 1.61 2.20 -0.16 -4.80 119.74 121.26 1sa8 s LYS 67 Ca 0.00 0.80 0.10 0.00 -0.36 0.00 0.00 55.97 56.50 1sa8 s LYS 67 Cb 0.00 0.43 -0.04 0.00 -1.51 0.00 0.00 37.83 36.71 1sa8 s LYS 67 CO 0.00 -0.68 -0.21 -0.06 -0.36 0.00 0.00 175.35 174.04 1sa8 s PHE 68 N 2.86 2.46 -0.12 4.03 0.40 -1.20 -1.88 117.98 124.53 1sa8 s PHE 68 Ca 0.16 -0.30 0.03 0.00 -0.60 0.00 0.00 56.93 56.22 1sa8 s PHE 68 Cb -0.13 -1.31 0.01 0.00 0.51 0.00 0.00 43.02 42.11 1sa8 s PHE 68 CO -0.21 0.38 -0.20 -1.59 0.70 0.00 0.00 175.22 174.30 1sa8 s LYS 69 N -2.17 2.75 -0.48 0.44 -2.85 0.62 0.08 119.74 118.12 1sa8 s LYS 69 Ca 0.17 -0.76 -0.19 0.00 -1.00 0.00 0.00 55.97 54.19 1sa8 s LYS 69 Cb -0.10 -2.21 0.05 0.00 -2.06 0.00 0.00 37.83 33.51 1sa8 s LYS 69 CO 0.09 0.01 0.59 0.50 0.10 0.00 0.00 175.35 176.65 1sa8 s ARG 70 N 0.76 3.13 0.20 1.78 3.00 -1.23 -1.31 118.95 125.29 1sa8 s ARG 70 Ca -0.10 -0.82 -0.09 0.00 -1.00 0.00 0.00 55.73 53.73 1sa8 s ARG 70 Cb -0.16 -4.06 0.13 0.00 0.00 0.00 0.00 34.95 30.86 1sa8 s ARG 70 CO 0.01 -1.14 1.76 -0.24 0.00 0.00 0.00 175.30 175.68 1sa8 h VAL 71 N 5.84 1.26 -0.67 7.11 3.04 -1.71 -0.64 116.25 130.48 1sa8 h VAL 71 Ca -0.27 -0.84 -0.02 0.00 -1.01 0.00 0.00 66.70 64.55 1sa8 h VAL 71 Cb 1.10 0.40 -0.03 0.00 -2.01 0.00 0.00 31.29 30.75 1sa8 h VAL 71 CO 0.93 0.34 0.32 -0.78 -1.01 0.00 0.00 177.57 177.36 1sa8 h ASP 72 N 1.09 0.86 -0.05 3.17 3.58 -1.91 -2.68 116.42 120.47 1sa8 h ASP 72 Ca 0.25 -0.09 -0.03 0.00 0.42 0.00 0.00 57.03 57.57 1sa8 h ASP 72 Cb 0.25 -0.22 0.00 0.00 1.72 0.00 0.00 39.33 41.08 1sa8 h ASP 72 CO -0.02 0.73 -0.09 0.78 -2.88 0.00 0.00 179.24 177.77 1sa8 h ASN 73 N 0.95 0.17 0.00 2.28 -0.26 -1.88 -3.48 115.58 113.35 1sa8 h ASN 73 Ca 0.23 -0.55 0.00 0.00 -0.56 0.00 0.00 56.30 55.42 1sa8 h ASN 73 Cb 0.10 -0.05 0.00 0.00 -1.06 0.00 0.00 38.32 37.32 1sa8 h ASN 73 CO -0.03 0.69 0.00 0.61 -1.06 0.00 0.00 177.43 177.64 1sa8 n GLY 74 N 0.40 -1.32 0.00 2.83 0.00 -0.36 -5.00 105.19 101.74 1sa8 n GLY 74 Ca -0.08 0.51 0.00 0.00 0.00 0.00 0.00 46.02 46.45 1sa8 n GLY 74 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1sa8 n LYS 75 N 0.00 0.00 -3.64 1.61 2.85 -0.51 -4.39 118.16 114.08 1sa8 n LYS 75 Ca 0.00 0.00 -0.09 0.00 -1.05 0.00 0.00 58.31 57.17 1sa8 n LYS 75 Cb 0.00 0.00 -0.07 0.00 -0.65 0.00 0.00 35.03 34.31 1sa8 n LYS 75 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 1sa8 s GLU 76 N 0.00 0.50 -0.30 -1.58 2.02 -1.19 -4.30 118.70 113.85 1sa8 s GLU 76 Ca 0.00 0.60 -0.06 0.00 0.02 0.00 0.00 54.97 55.53 1sa8 s GLU 76 Cb 0.00 0.24 0.19 0.00 0.10 0.00 0.00 34.13 34.66 1sa8 s GLU 76 CO 0.00 -0.06 0.88 -1.17 0.02 0.00 0.00 175.26 174.93 1sa8 s LEU 77 N 0.26 -0.84 -0.10 1.80 0.20 0.11 -3.48 118.68 116.64 1sa8 s LEU 77 Ca 0.03 0.24 0.04 0.00 0.69 0.00 0.00 54.13 55.12 1sa8 s LEU 77 Cb -0.05 1.59 -0.00 0.00 -0.43 0.00 0.00 46.19 47.30 1sa8 s LEU 77 CO -0.06 -0.16 -0.22 -0.63 -0.29 0.00 0.00 176.35 174.99 1sa8 s ILE 78 N 2.91 2.26 -0.17 6.68 1.01 0.42 -3.27 121.20 131.04 1sa8 s ILE 78 Ca 0.15 -0.96 -0.05 0.00 0.00 0.00 0.00 60.65 59.79 1sa8 s ILE 78 Cb -0.07 -1.87 -0.03 0.00 0.01 0.00 0.00 42.46 40.49 1sa8 s ILE 78 CO -0.21 0.56 0.01 0.00 0.00 0.00 0.00 174.94 175.30 1sa8 s ALA 79 N 0.24 3.18 -0.03 9.38 0.00 -1.25 0.69 121.76 133.97 1sa8 s ALA 79 Ca -0.15 -0.80 -0.01 0.00 0.00 0.00 0.00 51.96 51.01 1sa8 s ALA 79 Cb -0.17 -1.73 0.03 0.00 0.00 0.00 0.00 23.12 21.26 1sa8 s ALA 79 CO 0.07 0.18 0.06 0.08 0.00 0.00 0.00 175.76 176.15 1sa8 s VAL 80 N 0.40 -0.07 -0.15 0.00 1.01 -1.15 -3.58 120.40 116.86 1sa8 s VAL 80 Ca -0.01 0.23 -0.30 0.00 0.00 0.00 0.00 61.98 61.91 1sa8 s VAL 80 Cb -0.13 -0.12 0.11 0.00 0.00 0.00 0.00 36.38 36.24 1sa8 s VAL 80 CO 0.02 0.09 0.93 -0.60 0.00 0.00 0.00 175.10 175.54 1sa8 s ARG 81 N 1.21 0.69 0.35 2.72 6.06 0.17 -4.14 118.95 126.01 1sa8 s ARG 81 Ca -0.08 0.22 0.07 0.00 -2.50 0.00 0.00 55.73 53.45 1sa8 s ARG 81 Cb -0.13 0.33 -0.02 0.00 0.06 0.00 0.00 34.95 35.19 1sa8 s ARG 81 CO -0.04 -0.20 0.33 -1.83 -2.50 0.00 0.00 175.30 171.06 1sa8 s GLU 82 N -0.98 2.72 -0.25 5.12 -1.05 -1.26 0.12 118.70 123.12 1sa8 s GLU 82 Ca -0.03 -1.31 -0.10 0.00 -0.15 0.00 0.00 54.97 53.38 1sa8 s GLU 82 Cb -0.01 -2.49 -0.04 0.00 -0.44 0.00 0.00 34.13 31.15 1sa8 s GLU 82 CO 0.03 0.03 0.14 0.42 0.95 0.00 0.00 175.26 176.83 1sa8 s ILE 83 N -2.33 5.05 -0.22 1.83 -1.09 0.73 -4.56 121.20 120.62 1sa8 s ILE 83 Ca 0.43 0.07 -0.06 0.00 -2.23 0.00 0.00 60.65 58.87 1sa8 s ILE 83 Cb -0.06 -3.36 -0.02 0.00 -1.58 0.00 0.00 42.46 37.44 1sa8 s ILE 83 CO 0.27 0.33 0.02 -0.94 -1.23 0.00 0.00 174.94 173.39 1sa8 s SER 84 N 1.29 4.88 1.65 3.58 1.04 -1.26 -4.97 113.70 119.91 1sa8 s SER 84 Ca 0.06 -0.22 0.00 0.00 0.48 0.00 0.00 55.95 56.28 1sa8 s SER 84 Cb -0.14 -1.85 0.00 0.00 0.10 0.00 0.00 66.02 64.13 1sa8 s SER 84 CO 0.06 0.03 0.00 0.61 0.98 0.00 0.00 173.24 174.92 1sa8 n GLY 85 N 4.49 3.90 2.90 7.32 0.00 -1.26 -2.78 105.19 119.76 1sa8 n GLY 85 Ca -0.17 0.14 -0.30 0.00 0.00 0.00 0.00 46.02 45.68 1sa8 n GLY 85 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sa8 s ASN 86 N -4.00 4.37 0.04 1.61 4.22 -1.26 -5.05 114.94 114.87 1sa8 s ASN 86 Ca 0.00 -2.28 -0.28 0.00 -2.14 0.00 0.00 52.86 48.16 1sa8 s ASN 86 Cb 0.00 -1.38 0.09 0.00 1.28 0.00 0.00 41.25 41.24 1sa8 s ASN 86 CO 0.00 -0.34 1.04 -1.83 -2.04 0.00 0.00 177.10 173.93 1sa8 s GLU 87 N 0.75 0.83 -0.03 3.55 -1.05 -1.12 -3.31 118.70 118.32 1sa8 s GLU 87 Ca 0.13 -0.41 -0.00 0.00 -0.15 0.00 0.00 54.97 54.53 1sa8 s GLU 87 Cb -0.21 0.31 0.03 0.00 -0.44 0.00 0.00 34.13 33.82 1sa8 s GLU 87 CO -0.09 -0.38 0.02 -1.17 0.95 0.00 0.00 175.26 174.59 1sa8 s LEU 88 N -2.75 0.92 0.08 1.83 2.96 -0.23 -4.07 118.68 117.42 1sa8 s LEU 88 Ca 0.10 0.00 0.03 0.00 -0.22 0.00 0.00 54.13 54.04 1sa8 s LEU 88 Cb 0.00 -0.20 -0.04 0.00 0.50 0.00 0.00 46.19 46.45 1sa8 s LEU 88 CO -0.03 -0.14 0.10 -0.63 -1.32 0.00 0.00 176.35 174.33 1sa8 s ILE 89 N 1.32 4.63 -0.18 6.68 -1.09 -1.26 -0.70 121.20 130.59 1sa8 s ILE 89 Ca -0.06 -0.75 -0.01 0.00 -2.23 0.00 0.00 60.65 57.60 1sa8 s ILE 89 Cb -0.13 -3.24 0.05 0.00 -1.58 0.00 0.00 42.46 37.56 1sa8 s ILE 89 CO -0.03 0.11 -0.01 -1.58 -1.23 0.00 0.00 174.94 172.20 1sa8 s GLN 90 N -2.46 1.09 -0.21 2.79 2.00 -0.53 -4.84 119.66 117.50 1sa8 s GLN 90 Ca 0.30 -0.51 -0.07 0.00 -2.00 0.00 0.00 55.36 53.08 1sa8 s GLN 90 Cb -0.12 -2.06 -0.04 0.00 0.80 0.00 0.00 33.01 31.59 1sa8 s GLN 90 CO 0.23 -0.53 0.07 0.99 -0.50 0.00 0.00 175.29 175.54 1sa8 s THR 91 N 1.71 4.61 -0.41 -0.34 2.01 -1.26 -1.19 115.64 120.77 1sa8 s THR 91 Ca -0.01 -0.09 -0.11 0.00 0.31 0.00 0.00 61.69 61.79 1sa8 s THR 91 Cb -0.16 -3.11 0.05 0.00 0.01 0.00 0.00 72.50 69.29 1sa8 s THR 91 CO -0.07 0.41 0.26 -0.31 -0.69 0.00 0.00 174.62 174.22 1sa8 s TYR 92 N 0.88 3.28 -0.14 4.92 1.51 0.92 -2.91 117.35 125.80 1sa8 s TYR 92 Ca 0.04 -1.16 -0.06 0.00 -1.01 0.00 0.00 57.07 54.89 1sa8 s TYR 92 Cb -0.14 -2.77 -0.04 0.00 -0.11 0.00 0.00 41.96 38.91 1sa8 s TYR 92 CO 0.03 -0.75 0.05 0.99 -1.11 0.00 0.00 175.55 174.76 1sa8 s THR 93 N 1.53 4.74 -0.11 -0.71 2.01 0.22 -2.41 115.64 120.89 1sa8 s THR 93 Ca 0.03 -0.07 -0.04 0.00 0.31 0.00 0.00 61.69 61.92 1sa8 s THR 93 Cb -0.22 -3.08 0.06 0.00 0.01 0.00 0.00 72.50 69.27 1sa8 s THR 93 CO 0.05 0.53 0.23 -0.47 -0.69 0.00 0.00 174.62 174.27 1sa8 s TYR 94 N -0.21 -0.34 0.00 4.92 5.04 -0.55 -0.44 117.35 125.77 1sa8 s TYR 94 Ca 0.07 0.83 0.00 0.00 -2.44 0.00 0.00 57.07 55.54 1sa8 s TYR 94 Cb -0.12 -0.07 0.00 0.00 0.35 0.00 0.00 41.96 42.11 1sa8 s TYR 94 CO 0.01 -0.30 0.00 -1.91 -1.34 0.00 0.00 175.55 172.01 1sa8 n GLU 95 N 5.08 0.00 -0.82 4.97 4.07 -1.26 -2.00 120.64 130.68 1sa8 n GLU 95 Ca -0.10 0.00 -0.02 0.00 -0.06 0.00 0.00 57.16 56.98 1sa8 n GLU 95 Cb 0.50 0.00 -0.01 0.00 -0.06 0.00 0.00 31.44 31.87 1sa8 n GLU 95 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1sa8 n GLY 96 N 0.00 -0.18 2.96 8.31 0.00 -1.26 -5.13 105.19 109.89 1sa8 n GLY 96 Ca 0.00 -0.01 -0.22 0.00 0.00 0.00 0.00 46.02 45.79 1sa8 n GLY 96 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sa8 s VAL 97 N 0.01 0.82 -0.17 1.61 1.01 -0.85 -5.13 120.40 117.70 1sa8 s VAL 97 Ca 0.00 -0.30 -0.02 0.00 0.00 0.00 0.00 61.98 61.67 1sa8 s VAL 97 Cb 0.02 -0.79 -0.01 0.00 0.00 0.00 0.00 36.38 35.60 1sa8 s VAL 97 CO -0.01 0.29 -0.09 -1.83 0.00 0.00 0.00 175.10 173.46 1sa8 s GLU 98 N 0.77 3.42 -0.08 2.72 -1.05 -1.26 -1.49 118.70 121.73 1sa8 s GLU 98 Ca -0.13 -0.64 0.01 0.00 -0.15 0.00 0.00 54.97 54.06 1sa8 s GLU 98 Cb -0.15 -2.81 0.02 0.00 -0.44 0.00 0.00 34.13 30.75 1sa8 s GLU 98 CO 0.02 0.06 -0.09 0.00 0.95 0.00 0.00 175.26 176.20 1sa8 s ALA 99 N 0.78 1.15 -0.02 -0.84 0.00 -1.01 -4.98 121.76 116.83 1sa8 s ALA 99 Ca -0.03 -0.38 0.03 0.00 0.00 0.00 0.00 51.96 51.58 1sa8 s ALA 99 Cb -0.15 -0.66 -0.00 0.00 0.00 0.00 0.00 23.12 22.31 1sa8 s ALA 99 CO 0.01 -0.11 -0.11 -1.59 0.00 0.00 0.00 175.76 173.96 1sa8 s LYS 100 N 1.12 1.08 0.16 0.00 -2.85 -1.26 -0.06 119.74 117.93 1sa8 s LYS 100 Ca -0.07 -0.39 0.05 0.00 -1.00 0.00 0.00 55.97 54.56 1sa8 s LYS 100 Cb -0.14 -1.00 -0.04 0.00 -2.06 0.00 0.00 37.83 34.59 1sa8 s LYS 100 CO -0.01 0.18 0.16 0.50 0.10 0.00 0.00 175.35 176.28 1sa8 s ARG 101 N -0.00 2.98 -0.14 1.78 3.52 -0.34 -4.88 118.95 121.87 1sa8 s ARG 101 Ca -0.00 -0.82 -0.07 0.00 -0.13 0.00 0.00 55.73 54.71 1sa8 s ARG 101 Cb -0.07 -2.70 -0.04 0.00 -1.56 0.00 0.00 34.95 30.58 1sa8 s ARG 101 CO 0.00 0.49 0.11 -1.50 -0.81 0.00 0.00 175.30 173.59 1sa8 s ILE 102 N -1.74 5.20 0.18 4.11 2.07 -1.26 -1.45 121.20 128.32 1sa8 s ILE 102 Ca 0.31 0.10 -0.06 0.00 -1.41 0.00 0.00 60.65 59.60 1sa8 s ILE 102 Cb -0.10 -3.29 -0.02 0.00 0.13 0.00 0.00 42.46 39.17 1sa8 s ILE 102 CO 0.24 0.56 0.23 -0.36 -1.91 0.00 0.00 174.94 173.70 1sa8 s PHE 103 N -0.51 0.70 0.10 3.50 0.08 0.12 -4.87 117.98 117.10 1sa8 s PHE 103 Ca 0.11 -1.03 -0.03 0.00 0.12 0.00 0.00 56.93 56.11 1sa8 s PHE 103 Cb -0.12 -0.24 -0.03 0.00 -0.57 0.00 0.00 43.02 42.06 1sa8 s PHE 103 CO 0.02 -0.71 0.07 -1.59 -0.10 0.00 0.00 175.22 172.91 1sa8 s LYS 104 N -4.05 0.84 0.15 0.44 0.00 -1.26 -1.07 119.74 114.79 1sa8 s LYS 104 Ca 0.26 -1.28 -0.31 0.00 0.00 0.00 0.00 55.97 54.64 1sa8 s LYS 104 Cb 0.04 0.26 -0.08 0.00 0.00 0.00 0.00 37.83 38.05 1sa8 s LYS 104 CO 0.05 -0.23 1.40 0.21 0.00 0.00 0.00 175.35 176.78 1sa8 s LYS 105 N -3.97 4.32 0.00 1.78 2.47 -1.21 -0.51 119.74 122.62 1sa8 s LYS 105 Ca 0.15 2.12 0.07 0.00 -1.56 0.00 0.00 55.97 56.75 1sa8 s LYS 105 Cb 0.07 -3.21 0.42 0.00 -1.46 0.00 0.00 37.83 33.64 1sa8 s LYS 105 CO -0.04 -0.41 0.88 -1.91 0.16 0.00 0.00 175.35 174.03